General Information of the Compound
Compound ID
CP0468633
Compound Name
2-(2-chlorophenyl)-N-[4-(2-chloropyrimidin-5-yl)oxy-3-sulfamoylphenyl]acetamide
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Structure
Formula
C18H14Cl2N4O4S
Molecular Weight
453.307
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cnc(Cl)nc1
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InChI
InChI=1S/C18H14Cl2N4O4S/c19-14-4-2-1-3-11(14)7-17(25)24-12-5-6-15(16(8-12)29(21,26)27)28-13-9-22-18(20)23-10-13/h1-6,8-10H,7H2,(H,24,25)(H2,21,26,27)
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InChIKey
KKCBSZIDJRINOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.4043
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
124.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 124125544
ChEMBL ID
CHEMBL4455389
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2528 nM
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